2 0 2012 kru sel 0 journal Original Kruger, M. B.[Mario Baseda] Selle, C.[Carmen] Heller, D.[Detlef] Baumann, W.[Wolfgang] J. Chem. Eng. Data 2012 2012-06-15 Determination of Gas Concentrations in Liquids by Nuclear Magnetic Resonance: Hydrogen in Organic Solvents An important parameter for the calculating of rate constants or for process enhancement, both for sciences and engineering, is the knowledge of gas concentrations of gas liquid systems. We introduce the method SelPULCON for the determination of gas concentrations in liquids for NMR active substances (e.g., hydrogen) by means of NMR spectroscopy. This method is based on the principle of reciprocity and correlates the absolute signal intensity of the sample with that of an external reference. As a selective excitation is applied, this method is independent of whether the solvent is deuterated or not. In this way one can measure the gas concentration in almost all solutions and utilize all of the advantages of the NMR spectroscopy (e.g., for in situ or OPERANDO investigations). To demonstrate this method, we determined the hydrogen saturation concentrations in eight organic solvents at 25 deg C and 0.101 MPa total pressure, for example, in dichloromethane (c = 1.51 mmol*dm 3, b = 1.15 mmol*kg 1) and in 2,2,2-trifluoroethanol (c = 3.28 mmol*dm 3, b = 2.39 mmol*kg 1). 10.1021/je2013582 57 1737-1744 1 hydrogen H2 1 Commercial source 1 99.999 5 Stated by supplier 2 cis-1,4-butenedioic acid C4H4O4 1 Commercial source 1 99 2 Stated by supplier 3 R-150 C2H4Cl2 1 Commercial source 1 99 2 Stated by supplier 2 Dried with chemical reagent Fractional distillation 4 dichloromethane CH2Cl2 1 Commercial source 1 99 2 Stated by supplier 2 Dried with chemical reagent Fractional distillation 5 ethanol C2H6O 1 Commercial source 1 99 2 Stated by supplier 2 Dried with chemical reagent Fractional distillation 6 2-propanol C3H8O 1 Commercial source 1 99 2 Stated by supplier 2 Dried with chemical reagent Fractional distillation 7 2,2,2-trifluoroethanol C2H3F3O 1 Commercial source 1 99 2 Stated by supplier 2 Dried with chemical reagent Fractional distillation 8 methanol CH4O 1 Commercial source 1 99 2 Stated by supplier 2 Dried with chemical reagent Fractional distillation 9 benzene C6H6 1 Commercial source 1 99.7 3 Stated by supplier 2 Fractional distillation 10 toluene C7H8 1 Commercial source 1 99 2 Stated by supplier 2 Fractional distillation 8 1 1 1 Principal objective of the work KMR XXX 1/9/2012 1 Molality, mol/kg NMR 1 Liquid Direct value, X 8 1 Author Liquid Gas Temperature, K 298.15 5 1 Pressure, kPa 1 101 3 1 .00423 3 1 .0001692 5 1 1 1 Principal objective of the work KMR XXX 1/9/2012 1 Molality, mol/kg NMR 1 Liquid Direct value, X 5 1 Author Liquid Gas Temperature, K 298.15 5 1 Pressure, kPa 1 101 3 1 .00418 3 1 .0001254 6 1 1 1 Principal objective of the work KMR XXX 1/9/2012 1 Molality, mol/kg NMR 1 Liquid Direct value, X 6 1 Author Liquid Gas Temperature, K 298.15 5 1 Pressure, kPa 1 101 3 1 .00393 3 1 .0001965 7 1 1 1 Principal objective of the work KMR XXX 1/9/2012 1 Molality, mol/kg NMR 1 Liquid Direct value, X 7 1 Author Liquid Gas Temperature, K 298.15 5 1 Pressure, kPa 1 101 3 1 .00239 3 1 .0001434 9 1 1 1 Principal objective of the work KMR XXX 1/9/2012 1 Molality, mol/kg NMR 1 Liquid Direct value, X 9 1 Author Liquid Gas Temperature, K 298.15 5 1 Pressure, kPa 1 101 3 1 .00282 3 1 .000141 4 1 1 1 Principal objective of the work KMR XXX 1/9/2012 1 Molality, mol/kg NMR 1 Liquid Direct value, X 4 1 Author Liquid Gas Temperature, K 298.15 5 1 Pressure, kPa 1 101 3 1 .00115 3 1 .000046 3 1 1 1 Principal objective of the work KMR XXX 1/9/2012 1 Molality, mol/kg NMR 1 Liquid Direct value, X 3 1 Author Liquid Gas Temperature, K 298.15 5 1 Pressure, kPa 1 101 3 1 .00167 3 1 .0000501 10 1 1 1 Principal objective of the work RDC XXX 1/9/2012 1 Molality, mol/kg NMR 1 Liquid Direct value, X 10 1 Author Liquid Gas Pressure, kPa 101 3 1 Temperature, K 1 298.15 3 1 .00327 3 1 .0000981